3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one

C23H25FN2O2 — CID 158605748

IUPAC3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one
SMILESCC(=O)c1cn(CC(C)C)c2cc(N(C)Cc3ccccc3)c(F)cc2c1=O
InChIInChI=1S/C23H25FN2O2/c1-15(2)12-26-14-19(16(3)27)23(28)18-10-20(24)22(11-21(18)26)25(4)13-17-8-6-5-7-9-17/h5-11,14-15H,12-13H2,1-4H3
InChIKeyRZLGLJSHJISMMF-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.64
Rot. Bonds6

About 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one

3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one (PubChem CID 158605748) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one
PubChem CID158605748
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one
SMILESCC(=O)c1cn(CC(C)C)c2cc(N(C)Cc3ccccc3)c(F)cc2c1=O
InChIInChI=1S/C23H25FN2O2/c1-15(2)12-26-14-19(16(3)27)23(28)18-10-20(24)22(11-21(18)26)25(4)13-17-8-6-5-7-9-17/h5-11,14-15H,12-13H2,1-4H3
InChIKeyRZLGLJSHJISMMF-UHFFFAOYSA-N
XLogP4.64
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one
CID 160948486
3-acetyl-6-fluoro-1-(2-methylpropyl)-7-[methyl(thiophen-2-ylmethyl)amino]quinolin-4-one
CID 158399747
7-[(4-chlorophenyl)methyl-methylamino]-6-fluoro-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
CID 121357089
7-chloro-6-fluoro-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid;6-fluoro-7-[methyl-[(3-methylphenyl)methyl]amino]-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid;N-methyl-1-(3-methylphenyl)methanamine
CID 159776938
6-fluoro-7-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
CID 121351892
7-bromo-6-fluoro-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
CID 145086346
N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide
CID 57343353
7-chloro-6-fluoro-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid;6-fluoro-7-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid;N-methyl-1-(oxan-4-yl)methanamine
CID 158243328
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid
CID 172674811
1-benzyl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid;1-benzyl-6-fluoro-7-[(3-methoxyphenyl)methyl-methylamino]-4-oxoquinoline-3-carboxylic acid;bromomethylbenzene;ethyl 1-benzyl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate;1-(3-methoxyphenyl)-N-methylmethanamine
CID 159051417
1-[(4-bromophenyl)methyl]-7-(diethylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 94674233

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one?
The IUPAC name of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one (CID 158605748) is 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one.
What is the SMILES notation for 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one?
The canonical SMILES for 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one is CC(=O)c1cn(CC(C)C)c2cc(N(C)Cc3ccccc3)c(F)cc2c1=O.
What is the InChIKey of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one?
The InChIKey is RZLGLJSHJISMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-15(2)12-26-14-19(16(3)27)23(28)18-10-20(24)22(11-21(18)26)25(4)13-17-8-6-5-7-9-17/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one?
3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one has a molecular weight of 380.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one is sourced from PubChem (CID 158605748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).